4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine

C16H33NO — CID 64729623

IUPAC4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCOC1CC(C)CC(C)C1
InChIInChI=1S/C16H33NO/c1-13(2)12-17-7-5-6-8-18-16-10-14(3)9-15(4)11-16/h13-17H,5-12H2,1-4H3
InChIKeyLVKUYBXFYVQDGP-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds8

About 4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine

4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine (PubChem CID 64729623) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
PubChem CID64729623
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCOC1CC(C)CC(C)C1
InChIInChI=1S/C16H33NO/c1-13(2)12-17-7-5-6-8-18-16-10-14(3)9-15(4)11-16/h13-17H,5-12H2,1-4H3
InChIKeyLVKUYBXFYVQDGP-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine (CID 64729623) is 4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCCCOC1CC(C)CC(C)C1.
What is the InChIKey of 4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine?
The InChIKey is LVKUYBXFYVQDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-13(2)12-17-7-5-6-8-18-16-10-14(3)9-15(4)11-16/h13-17H,5-12H2,1-4H3.
What are the key properties of 4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine?
4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 64729623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).